N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride

C8H20ClN3O2S — CID 120999320

IUPACN-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride
SMILESCC(C)NS(=O)(=O)N1CCCNCC1.Cl
InChIInChI=1S/C8H19N3O2S.ClH/c1-8(2)10-14(12,13)11-6-3-4-9-5-7-11;/h8-10H,3-7H2,1-2H3;1H
InChIKeyXMPIXOZBGKHDDN-UHFFFAOYSA-N
MW257.79 g/mol
LogP-0.05
Rot. Bonds3

About N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride

N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride (PubChem CID 120999320) has the molecular formula C8H20ClN3O2S and a molecular weight of 257.79 g/mol. Its IUPAC name is N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride
PubChem CID120999320
Molecular FormulaC8H20ClN3O2S
Molecular Weight257.79 g/mol
Exact Mass257.10
IUPAC NameN-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride
SMILESCC(C)NS(=O)(=O)N1CCCNCC1.Cl
InChIInChI=1S/C8H19N3O2S.ClH/c1-8(2)10-14(12,13)11-6-3-4-9-5-7-11;/h8-10H,3-7H2,1-2H3;1H
InChIKeyXMPIXOZBGKHDDN-UHFFFAOYSA-N
XLogP-0.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-methylpiperazine-1-sulfonamide;hydrochloride
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methyl 2-(piperazin-1-ylsulfonylamino)propanoate
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3-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 114810913
1-piperazin-1-ylsulfonyl-3-propan-2-ylurea
CID 170311112
N-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide
CID 61253526
1-(2-methylpentylsulfonyl)-1,4-diazepane;hydrochloride
CID 119963429
N-(1-piperidin-3-ylethyl)piperidine-1-sulfonamide
CID 43523454
1-tert-butylsulfonyl-1,4-diazepane
CID 63687283
1-(2-ethylbutylsulfonyl)-1,4-diazepane;hydrochloride
CID 119963310
N-[1-(furan-2-yl)ethyl]piperazine-1-sulfonamide
CID 43535843

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride?
The IUPAC name of N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride (CID 120999320) is N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride is CC(C)NS(=O)(=O)N1CCCNCC1.Cl.
What is the InChIKey of N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride?
The InChIKey is XMPIXOZBGKHDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S.ClH/c1-8(2)10-14(12,13)11-6-3-4-9-5-7-11;/h8-10H,3-7H2,1-2H3;1H.
What are the key properties of N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride?
N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride has a molecular weight of 257.79 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120999320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).